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Molecule
Tributyltin Acetate
CAS: 56-36-0 · C14H30O2Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 56-36-0
- Molecular Formula
- C14H30O2Sn
- Molecular Mass
- 349.10299999999995 g/mol
Identifiers
CAS Registry Number
56-36-0
SMILES
CC(=O)[O-].[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn+]
InChI Key
PWBHRVGYSMBMIO-UHFFFAOYSA-M
InChI
InChI=1S/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1
Names and Synonyms
- Tributyltin Acetate Synonym
- Acetic acid, tributylstannyl ester Synonym
- Tributyltin acetate Synonym
- Stannane, (acetyloxy)tributyl- Synonym
- Stannane, acetoxytributyl- Synonym
- Acetoxytributyltin Synonym
- Tributylacetoxystannane Synonym
- Acetoxytributylstannane Synonym
- Tri-n-butyltin acetate Synonym
- Tributylstannyl acetate Synonym
- NSC 8989 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O=C(O[Sn](CCCC)(CCCC)CCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=PWBHRVGYSMBMIO-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 84.7 °C | CAS Common Chemistry |
| Name | Tributyltin acetate | CAS Common Chemistry |
| Molecular Mass | 349.10299999999995 g/mol | RDKit |
| 350.1267749 g/mol | RDKit | |
| 349.103 g/mol | RDKit | |
| 352.126 g/mol | chempirical lib | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.129999999999995 Ų | RDKit |
| 40.13 Ų | RDKit | |
| LogP | 3.2371700000000017 | RDKit |
| 3.2372 | RDKit | |
| Molar Refractivity | 77.23000000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| Exact Mass | 349.10 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 349.10 g/mol. Edit any field — others recompute live.
